6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

C17H17FN4OS — CID 133465339

IUPAC6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESC=CCOC1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
InChIInChI=1S/C17H17FN4OS/c1-2-9-23-14-7-8-21(10-14)17-20-22-11-15(19-16(22)24-17)12-3-5-13(18)6-4-12/h2-6,11,14H,1,7-10H2
InChIKeyCQMPSGRVPHVVBQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.38
Rot. Bonds5

About 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133465339) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133465339
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESC=CCOC1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
InChIInChI=1S/C17H17FN4OS/c1-2-9-23-14-7-8-21(10-14)17-20-22-11-15(19-16(22)24-17)12-3-5-13(18)6-4-12/h2-6,11,14H,1,7-10H2
InChIKeyCQMPSGRVPHVVBQ-UHFFFAOYSA-N
XLogP3.38
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
CID 133274885
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133275736
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
CID 133495191
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
2-(4-cyclohex-2-en-1-ylpiperazin-1-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 56574520

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 133465339) is 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is C=CCOC1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CQMPSGRVPHVVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-2-9-23-14-7-8-21(10-14)17-20-22-11-15(19-16(22)24-17)12-3-5-13(18)6-4-12/h2-6,11,14H,1,7-10H2.
What are the key properties of 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 344.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133465339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).